Cas no 108321-21-7 (Propionyl Coenzyme A Lithium Salt (>85%))

Propionyl Coenzyme A Lithium Salt (>85%) structure
108321-21-7 structure
Product Name:Propionyl Coenzyme A Lithium Salt (>85%)
CAS No:108321-21-7
MF:C24H39LiN7O17P3S
MW:829.530447244644
CID:127920
PubChem ID:24898631
Update Time:2025-04-18

Propionyl Coenzyme A Lithium Salt (>85%) Chemical and Physical Properties

Names and Identifiers

    • Coenzyme A,S-propanoate, lithium salt (9CI)
    • n-Propionyl coenzyme A lithium salt
    • Propionyl coenzyme A lithium salt
    • Propionyl Coenzyme A, Li salt
    • 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxopropyl)thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-3-O-phosphonopentofuranosyl]-, monolithium salt
    • C3:0
    • n-Propionyl coenzyme A
    • N-propionyl coenzyme A lithium
    • coenzyme A n-propionyl derivative (C3:0), lithium salt
    • Propionyl coenzyme A lithium salt≥ 95% (UV)
    • Propionyl Coenzyme A Lithium Salt (>85%)
    • lithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-propanoylsulfanylethylamino)propyl]amino]butoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
    • 108321-21-7
    • Inchi: 1S/C24H40N7O17P3S.Li/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31;/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39);/q;+1/p-1/t13-,17-,18-,19?,23-;/m1./s1
    • InChI Key: NHDDMVHJPMKFOA-UIXOMBANSA-M
    • SMILES: S(C(CC)=O)CCNC(CCNC(C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)OP(=O)(O)[O-])O)=O)=O.[Li+]

Computed Properties

  • Exact Mass: 829.15682
  • Monoisotopic Mass: 829.14960340g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 53
  • Rotatable Bond Count: 21
  • Complexity: 1410
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 392?2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Melting Point: >186°C (dec.)
  • Solubility: DMSO (Slightly), Methanol (Slightly)
  • PSA: 363.63
  • LogP: 1.33650

Propionyl Coenzyme A Lithium Salt (>85%) Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P280-P305+P351+P338-P337+P313
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 22-26-36
  • Hazardous Material Identification: Xi
  • Risk Phrases:36/37/38
  • Safety Term:Hazard Codes XiRisk Statements 36/37/38Safety Statements 22-26-36WGK Germany 3
  • Storage Condition:?20°C

Propionyl Coenzyme A Lithium Salt (>85%) Pricemore >>

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